begin
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lattice            -0.002748           15.735538            0.000000
lattice             0.001330           -0.006648            7.617187
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atom           6.708122235         5.305105853         1.785546235 H       0.099468      0.000000      0.034002      0.043049      0.027982
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energy          -918.835853
charge             0.000000
end
